SCHEMBL29316776

SCHEMBL29316776

CC(C)OC1CCC(CC(F)(F)C(=O)N2CCN(C(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.42
▸ KCNH2 Q12809 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ EPHX2 P34913 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29316784 1.00 HRH3 (0.42) HRH3KCNH2CYP2D6EPHX2
SCHEMBL29330604 0.88 HRH3 (0.38) HRH3KCNH2CYP2D6EPHX2
SCHEMBL29330618 0.86 HSD11B1 (0.39) —
SCHEMBL26746322 0.86 HSD11B1 (0.39) —
SCHEMBL29316808 0.78 HSD11B1 (0.45) HRH3KCNH2CYP2D6
SCHEMBL26706122 0.78 HSD11B1 (0.45) HRH3KCNH2CYP2D6
SCHEMBL26746728 0.78 HSD11B1 (0.45) HRH3KCNH2CYP2D6
SCHEMBL29316801 0.78 NAMPT (0.42) HRH3KCNH2CYP2D6
SCHEMBL26746724 0.78 NAMPT (0.42) HRH3KCNH2CYP2D6
SCHEMBL26742027 0.76 TPSAB1 (0.44) HRH3KCNH2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 — — US disclosed
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2A1, BCL2L1, BCL3 HRH3 4026/4885KCNH2 2357/4885CYP2D6 1324/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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